#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rq8 s LEU 1 N 0.00 5.13 -0.14 4.03 1.43 -1.26 -5.07 118.68 122.80 2rq8 s LEU 1 Ca 0.00 -1.63 0.01 0.00 -1.03 0.00 0.00 54.13 51.48 2rq8 s LEU 1 Cb 0.00 -1.94 -0.00 0.00 0.03 0.00 0.00 46.19 44.28 2rq8 s LEU 1 CO 0.00 -0.53 -0.18 -0.63 0.23 0.00 0.00 176.35 175.24 2rq8 s ILE 2 N 1.35 2.50 -0.02 -0.59 -1.09 -1.26 -5.09 121.20 117.00 2rq8 s ILE 2 Ca 0.04 -0.84 -0.00 0.00 -2.23 0.00 0.00 60.65 57.61 2rq8 s ILE 2 Cb -0.23 -2.03 0.02 0.00 -1.58 0.00 0.00 42.46 38.64 2rq8 s ILE 2 CO 0.00 0.53 0.04 -0.70 -1.23 0.00 0.00 174.94 173.58 2rq8 s GLU 3 N 0.67 -0.01 0.32 2.79 2.56 -1.26 -5.09 118.70 118.67 2rq8 s GLU 3 Ca -0.09 0.17 -0.29 0.00 0.00 0.00 0.00 54.97 54.76 2rq8 s GLU 3 Cb -0.16 -0.18 -0.10 0.00 2.00 0.00 0.00 34.13 35.69 2rq8 s GLU 3 CO 0.02 -0.13 1.26 0.54 -0.56 0.00 0.00 175.26 176.39 2rq8 s VAL 4 N 0.82 2.90 -0.20 3.70 0.11 -1.26 -4.40 120.40 122.07 2rq8 s VAL 4 Ca -0.07 0.91 -0.20 0.00 -2.93 0.00 0.00 61.98 59.68 2rq8 s VAL 4 Cb -0.10 -3.58 -0.20 0.00 -1.53 0.00 0.00 36.38 30.98 2rq8 s VAL 4 CO -0.03 0.22 0.25 -0.08 -3.33 0.00 0.00 175.10 172.13 2rq8 h GLU 5 N 3.51 0.03 -1.78 1.54 4.57 -1.68 -3.45 114.58 117.32 2rq8 h GLU 5 Ca -0.48 -0.05 -0.37 0.00 -1.18 0.00 0.00 59.36 57.27 2rq8 h GLU 5 Cb 1.22 0.02 -0.29 0.00 -0.16 0.00 0.00 28.75 29.55 2rq8 h GLU 5 CO 0.66 1.02 -0.73 0.21 -1.18 0.00 0.00 179.01 179.00 2rq8 s LYS 6 N -2.38 0.88 1.20 1.92 2.20 -1.26 -4.99 119.74 117.31 2rq8 s LYS 6 Ca -0.28 -1.37 -0.19 0.00 -0.36 0.00 0.00 55.97 53.77 2rq8 s LYS 6 Cb 0.06 -0.75 0.28 0.00 -1.51 0.00 0.00 37.83 35.91 2rq8 s LYS 6 CO 0.61 -1.31 1.11 -1.25 -0.36 0.00 0.00 175.35 174.16 2rq8 s PRO 7 N 0.76 -1.20 -0.56 4.03 0.04 -1.26 -3.64 135.00 133.17 2rq8 s PRO 7 Ca 0.27 -0.05 -0.01 0.00 0.04 0.00 0.00 61.00 61.24 2rq8 s PRO 7 Cb -0.03 -1.60 0.15 0.00 0.04 0.00 0.00 34.50 33.05 2rq8 s PRO 7 CO -0.10 -3.70 0.35 -0.48 0.04 0.00 0.00 177.00 173.12 2rq8 s LEU 8 N -6.93 5.00 0.00 -3.56 0.05 -1.26 -4.92 118.68 107.06 2rq8 s LEU 8 Ca 0.71 -2.77 0.15 0.00 0.05 0.00 0.00 54.13 52.26 2rq8 s LEU 8 Cb -0.10 -1.79 0.73 0.00 -2.05 0.00 0.00 46.19 42.98 2rq8 s LEU 8 CO 0.56 -0.36 1.41 -0.81 -0.55 0.00 0.00 176.35 176.61 2rq8 n PRO 9 N 3.55 0.18 -3.23 1.48 -0.04 -1.26 -4.61 135.00 131.07 2rq8 n PRO 9 Ca 0.06 0.16 0.04 0.00 -0.04 0.00 0.00 63.50 63.72 2rq8 n PRO 9 Cb 0.37 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.30 2rq8 n PRO 9 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2rq8 s GLY 10 N -2.63 -0.16 -0.11 0.55 0.00 -1.26 -4.56 107.32 99.15 2rq8 s GLY 10 Ca 0.13 3.06 0.01 0.00 0.00 0.00 0.00 44.72 47.92 2rq8 s GLY 10 CO 0.23 3.55 -0.15 0.14 0.00 0.00 0.00 173.10 176.87 2rq8 s VAL 11 N 2.61 2.89 -0.12 1.40 1.01 -1.18 -5.06 120.40 121.95 2rq8 s VAL 11 Ca -0.01 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.20 2rq8 s VAL 11 Cb -0.07 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 2rq8 s VAL 11 CO -0.14 0.54 -0.01 -1.83 0.00 0.00 0.00 175.10 173.66 2rq8 s GLU 12 N 0.15 3.35 0.27 2.72 -1.05 -1.26 -2.02 118.70 120.86 2rq8 s GLU 12 Ca -0.08 -0.45 -0.11 0.00 -0.15 0.00 0.00 54.97 54.18 2rq8 s GLU 12 Cb -0.15 -2.88 -0.00 0.00 -0.44 0.00 0.00 34.13 30.66 2rq8 s GLU 12 CO 0.05 0.47 0.48 0.14 0.95 0.00 0.00 175.26 177.35 2rq8 s VAL 13 N -0.25 0.00 0.63 1.83 -7.23 -1.13 -4.90 120.40 109.36 2rq8 s VAL 13 Ca 0.05 -1.44 -0.09 0.00 -1.81 0.00 0.00 61.98 58.69 2rq8 s VAL 13 Cb -0.12 -2.32 0.00 0.00 0.56 0.00 0.00 36.38 34.49 2rq8 s VAL 13 CO 0.02 0.00 0.99 -0.36 -0.31 0.00 0.00 175.10 175.44 2rq8 s PHE 14 N -3.78 3.34 -0.22 2.82 0.08 -1.26 -1.66 117.98 117.31 2rq8 s PHE 14 Ca 0.24 0.88 -0.28 0.00 0.12 0.00 0.00 56.93 57.90 2rq8 s PHE 14 Cb -0.01 -2.85 0.00 0.00 -0.57 0.00 0.00 43.02 39.60 2rq8 s PHE 14 CO 0.11 -0.92 0.97 0.54 -0.10 0.00 0.00 175.22 175.82 2rq8 s VAL 15 N -3.15 4.74 -1.47 -0.44 0.11 -0.74 -3.85 120.40 115.61 2rq8 s VAL 15 Ca 0.55 1.90 -0.09 0.00 -2.93 0.00 0.00 61.98 61.41 2rq8 s VAL 15 Cb -0.11 -4.25 0.06 0.00 -1.53 0.00 0.00 36.38 30.55 2rq8 s VAL 15 CO 0.49 -0.13 0.88 0.61 -3.33 0.00 0.00 175.10 173.62 2rq8 n GLY 16 N 3.42 -0.43 0.00 6.54 0.00 -1.25 -4.88 105.19 108.59 2rq8 n GLY 16 Ca 0.10 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.29 2rq8 n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2rq8 n GLU 17 N -4.56 0.00 -4.33 1.61 -0.58 -1.25 -4.66 120.64 106.87 2rq8 n GLU 17 Ca -0.07 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.47 2rq8 n GLU 17 Cb 0.57 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 31.31 2rq8 n GLU 17 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2rq8 s THR 18 N 1.18 1.08 -0.22 2.62 2.01 -1.25 -3.61 115.64 117.45 2rq8 s THR 18 Ca 0.00 -1.01 -0.01 0.00 0.31 0.00 0.00 61.69 60.99 2rq8 s THR 18 Cb 0.00 -0.99 0.06 0.00 0.01 0.00 0.00 72.50 71.58 2rq8 s THR 18 CO 0.00 -0.02 -0.01 0.00 -0.69 0.00 0.00 174.62 173.90 2rq8 s ALA 19 N -0.88 1.55 -0.30 7.40 0.00 0.26 -4.00 121.76 125.79 2rq8 s ALA 19 Ca 0.01 -1.07 -0.10 0.00 0.00 0.00 0.00 51.96 50.80 2rq8 s ALA 19 Cb -0.08 -1.33 -0.01 0.00 0.00 0.00 0.00 23.12 21.70 2rq8 s ALA 19 CO 0.01 -1.19 0.15 -1.01 0.00 0.00 0.00 175.76 173.72 2rq8 s HIS 20 N 1.60 3.17 0.01 0.00 3.76 -1.26 -1.90 115.29 120.67 2rq8 s HIS 20 Ca -0.04 -0.46 0.08 0.00 -0.15 0.00 0.00 55.06 54.49 2rq8 s HIS 20 Cb -0.18 -2.35 -0.03 0.00 1.11 0.00 0.00 32.58 31.13 2rq8 s HIS 20 CO -0.07 -0.41 -0.24 -0.06 -0.85 0.00 0.00 174.74 173.11 2rq8 s PHE 21 N 1.63 2.39 -0.11 1.40 0.08 -1.14 -4.97 117.98 117.26 2rq8 s PHE 21 Ca 0.05 -0.38 -0.06 0.00 0.12 0.00 0.00 56.93 56.66 2rq8 s PHE 21 Cb -0.17 -1.47 0.05 0.00 -0.57 0.00 0.00 43.02 40.86 2rq8 s PHE 21 CO 0.07 0.08 0.26 -1.83 -0.10 0.00 0.00 175.22 173.69 2rq8 s GLU 22 N -0.95 0.23 0.20 0.44 -1.05 -1.26 -2.85 118.70 113.45 2rq8 s GLU 22 Ca 0.11 0.55 -0.07 0.00 -0.15 0.00 0.00 54.97 55.41 2rq8 s GLU 22 Cb -0.10 -0.10 -0.02 0.00 -0.44 0.00 0.00 34.13 33.47 2rq8 s GLU 22 CO 0.01 -0.16 0.27 0.96 0.95 0.00 0.00 175.26 177.29 2rq8 s ILE 23 N 1.22 0.03 0.05 1.83 -0.00 -1.22 -4.68 121.20 118.42 2rq8 s ILE 23 Ca -0.09 -1.65 0.08 0.00 -0.00 0.00 0.00 60.65 58.99 2rq8 s ILE 23 Cb -0.10 -2.19 -0.03 0.00 -0.00 0.00 0.00 42.46 40.15 2rq8 s ILE 23 CO -0.09 -0.13 -0.23 -1.61 -0.00 0.00 0.00 174.94 172.89 2rq8 s GLU 24 N -4.05 1.55 0.00 0.37 8.01 -1.24 -2.94 118.70 120.39 2rq8 s GLU 24 Ca 0.27 -1.02 0.00 0.00 0.01 0.00 0.00 54.97 54.23 2rq8 s GLU 24 Cb 0.04 -1.70 0.00 0.00 -4.31 0.00 0.00 34.13 28.16 2rq8 s GLU 24 CO 0.07 0.43 0.25 1.28 0.01 0.00 0.00 175.26 177.30 2rq8 n LEU 25 N 1.79 0.50 -2.53 1.80 7.99 -1.25 -1.95 117.00 123.35 2rq8 n LEU 25 Ca -0.17 -0.66 -0.13 0.00 -0.01 0.00 0.00 56.01 55.04 2rq8 n LEU 25 Cb 0.53 0.00 -0.00 0.00 -0.11 0.00 0.00 43.42 43.83 2rq8 n LEU 25 CO 0.23 0.13 -0.14 -0.24 -1.51 0.00 0.00 177.39 175.86 2rq8 n SER 26 N -0.32 -3.74 -2.75 -1.43 2.88 -1.26 -4.43 113.62 102.57 2rq8 n SER 26 Ca 0.00 0.16 -0.04 0.00 -1.33 0.00 0.00 58.87 57.66 2rq8 n SER 26 Cb 0.03 -3.17 0.02 0.00 -0.75 0.00 0.00 64.21 60.33 2rq8 n SER 26 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2rq8 n GLU 27 N -2.88 0.52 0.00 -1.46 4.07 -1.26 -4.99 120.64 114.64 2rq8 n GLU 27 Ca -0.13 -1.91 0.07 0.00 -0.06 0.00 0.00 57.16 55.13 2rq8 n GLU 27 Cb 0.60 -1.34 0.33 0.00 -0.06 0.00 0.00 31.44 30.97 2rq8 n GLU 27 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 2rq8 n PRO 28 N 2.79 0.08 0.31 5.31 -0.04 -1.26 -2.95 135.00 139.24 2rq8 n PRO 28 Ca 0.17 0.21 0.19 0.00 -0.04 0.00 0.00 63.50 64.03 2rq8 n PRO 28 Cb 0.57 -1.50 1.05 0.00 -0.04 0.00 0.00 33.50 33.58 2rq8 n PRO 28 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2rq8 h ASP 29 N 0.00 0.00 -3.71 3.54 3.32 -1.94 -3.43 116.42 114.20 2rq8 h ASP 29 Ca 0.00 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.81 2rq8 h ASP 29 Cb 0.20 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.71 2rq8 h ASP 29 CO 0.00 0.00 -0.18 1.33 -1.72 0.00 0.00 179.24 178.67 2rq8 n VAL 30 N -3.45 0.00 -4.23 -1.35 0.24 -1.15 -5.17 118.33 103.21 2rq8 n VAL 30 Ca -0.03 -0.89 -0.11 0.00 -2.04 0.00 0.00 64.34 61.27 2rq8 n VAL 30 Cb 0.11 0.20 -0.03 0.00 -1.47 0.00 0.00 33.84 32.65 2rq8 n VAL 30 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2rq8 n HIS 31 N -0.46 0.17 -4.35 6.34 8.25 -1.26 -5.05 115.22 118.86 2rq8 n HIS 31 Ca -0.07 -1.07 -0.21 0.00 -0.26 0.00 0.00 57.72 56.10 2rq8 n HIS 31 Cb 0.24 -0.04 -0.08 0.00 1.12 0.00 0.00 29.99 31.23 2rq8 n HIS 31 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2rq8 s GLY 32 N -2.07 2.39 -0.07 -1.41 0.00 -1.26 -3.22 107.32 101.68 2rq8 s GLY 32 Ca 0.06 -1.80 -0.06 0.00 0.00 0.00 0.00 44.72 42.92 2rq8 s GLY 32 CO 0.05 -1.58 0.19 1.62 0.00 0.00 0.00 173.10 173.38 2rq8 s GLN 33 N -3.55 0.21 -0.25 2.90 0.74 0.71 -4.97 119.66 115.46 2rq8 s GLN 33 Ca 0.35 0.27 -0.05 0.00 0.05 0.00 0.00 55.36 55.98 2rq8 s GLN 33 Cb 0.02 0.10 -0.01 0.00 1.10 0.00 0.00 33.01 34.22 2rq8 s GLN 33 CO 0.23 -0.03 0.01 -1.58 -0.55 0.00 0.00 175.29 173.38 2rq8 s TRP 34 N 0.14 3.05 -0.05 1.67 0.52 -1.26 -0.24 118.94 122.77 2rq8 s TRP 34 Ca -0.00 -0.88 0.04 0.00 0.02 0.00 0.00 56.10 55.27 2rq8 s TRP 34 Cb -0.02 -2.17 -0.02 0.00 -1.15 0.00 0.00 33.47 30.11 2rq8 s TRP 34 CO -0.00 -0.53 -0.15 0.21 0.02 0.00 0.00 176.95 176.50 2rq8 s LYS 35 N 1.50 2.50 0.00 4.98 2.20 0.92 -3.24 119.74 128.60 2rq8 s LYS 35 Ca 0.05 -0.72 -0.01 0.00 -0.36 0.00 0.00 55.97 54.93 2rq8 s LYS 35 Cb -0.15 -2.35 -0.01 0.00 -1.51 0.00 0.00 37.83 33.81 2rq8 s LYS 35 CO -0.00 0.60 0.00 -1.17 -0.36 0.00 0.00 175.35 174.42 2rq8 s LEU 36 N -0.68 2.04 0.59 5.43 2.96 -1.26 -2.61 118.68 125.14 2rq8 s LEU 36 Ca 0.10 -0.18 0.28 0.00 -0.22 0.00 0.00 54.13 54.12 2rq8 s LEU 36 Cb -0.11 0.10 1.63 0.00 0.50 0.00 0.00 46.19 48.31 2rq8 s LEU 36 CO 0.01 -0.13 2.09 0.50 -1.32 0.00 0.00 176.35 177.49 2rq8 h LYS 37 N 5.50 0.00 0.09 1.98 1.63 -1.98 -3.05 116.57 120.74 2rq8 h LYS 37 Ca -0.27 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.52 2rq8 h LYS 37 Cb 1.21 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 2rq8 h LYS 37 CO 0.46 0.00 -0.05 0.78 -3.45 0.00 0.00 179.45 177.20 2rq8 h GLY 38 N 0.00 -0.13 -1.40 5.01 0.00 -1.96 -3.46 103.07 101.13 2rq8 h GLY 38 Ca 0.10 0.05 -0.51 0.00 0.00 0.00 0.00 47.33 46.97 2rq8 h GLY 38 CO -0.00 -0.05 0.36 1.20 0.00 0.00 0.00 176.54 178.05 2rq8 s GLN 39 N -2.02 2.86 0.08 4.80 1.11 -1.15 -4.99 119.66 120.35 2rq8 s GLN 39 Ca -0.02 1.04 -0.17 0.00 0.01 0.00 0.00 55.36 56.23 2rq8 s GLN 39 Cb 0.00 -1.98 -0.11 0.00 -1.01 0.00 0.00 33.01 29.92 2rq8 s GLN 39 CO 0.06 -1.16 1.39 -1.00 0.01 0.00 0.00 175.29 174.58 2rq8 h PRO 40 N -0.61 0.57 0.00 2.91 0.13 -1.90 -3.40 132.00 129.71 2rq8 h PRO 40 Ca -0.44 -0.30 -0.00 0.00 -0.87 0.00 0.00 66.00 64.38 2rq8 h PRO 40 Cb 1.22 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 2rq8 h PRO 40 CO 0.56 0.90 0.00 1.47 -0.23 0.00 0.00 178.00 180.69 2rq8 n LEU 41 N -4.37 0.00 -4.91 1.56 -0.00 -1.26 -4.92 117.00 103.10 2rq8 n LEU 41 Ca -0.05 -0.02 -0.27 0.00 -0.00 0.00 0.00 56.01 55.67 2rq8 n LEU 41 Cb 0.43 0.02 0.02 0.00 -0.00 0.00 0.00 43.42 43.89 2rq8 n LEU 41 CO 0.43 -0.01 0.52 0.00 -0.00 0.00 0.00 177.39 178.33 2rq8 s ALA 42 N -1.32 3.32 -1.15 1.47 0.00 -1.20 -4.18 121.76 118.71 2rq8 s ALA 42 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.40 2rq8 s ALA 42 Cb -0.00 -2.65 0.00 0.00 0.00 0.00 0.00 23.12 20.47 2rq8 s ALA 42 CO 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 175.76 175.15 2rq8 n ALA 43 N -2.47 -0.39 -0.81 0.00 0.00 -1.26 -4.98 120.51 110.59 2rq8 n ALA 43 Ca 0.03 0.11 -0.30 0.00 0.00 0.00 0.00 53.44 53.27 2rq8 n ALA 43 Cb 0.56 -1.59 0.17 0.00 0.00 0.00 0.00 19.45 18.59 2rq8 n ALA 43 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2rq8 s SER 44 N -2.40 2.90 0.00 0.00 0.01 -1.26 -4.88 113.70 108.07 2rq8 s SER 44 Ca 0.00 1.95 0.15 0.00 1.31 0.00 0.00 55.95 59.36 2rq8 s SER 44 Cb 0.00 -2.48 0.69 0.00 0.21 0.00 0.00 66.02 64.44 2rq8 s SER 44 CO 0.00 -3.08 1.42 -0.81 0.41 0.00 0.00 173.24 171.19 2rq8 n PRO 45 N -4.20 0.13 0.00 12.44 -0.04 -1.26 -1.95 135.00 140.11 2rq8 n PRO 45 Ca 0.09 0.19 0.06 0.00 -0.04 0.00 0.00 63.50 63.80 2rq8 n PRO 45 Cb 0.53 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.45 2rq8 n PRO 45 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2rq8 n ASP 46 N -1.37 0.91 -4.59 3.54 8.00 -1.26 -5.00 116.55 116.78 2rq8 n ASP 46 Ca 0.06 -0.96 -0.25 0.00 0.71 0.00 0.00 54.79 54.35 2rq8 n ASP 46 Cb 0.14 0.78 -0.09 0.00 -0.02 0.00 0.00 41.12 41.92 2rq8 n ASP 46 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2rq8 s GLU 48 N -3.67 0.61 -0.40 0.00 0.41 -1.14 -4.51 118.70 109.99 2rq8 s GLU 48 Ca 0.34 -0.36 -0.13 0.00 -0.41 0.00 0.00 54.97 54.41 2rq8 s GLU 48 Cb 0.01 -2.01 0.03 0.00 -1.78 0.00 0.00 34.13 30.38 2rq8 s GLU 48 CO 0.18 -0.62 0.27 0.42 -0.49 0.00 0.00 175.26 175.02 2rq8 s ILE 49 N 1.89 4.86 -0.30 -1.63 1.01 -1.26 -2.50 121.20 123.27 2rq8 s ILE 49 Ca -0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 60.65 59.76 2rq8 s ILE 49 Cb -0.17 -3.76 0.04 0.00 0.01 0.00 0.00 42.46 38.59 2rq8 s ILE 49 CO -0.08 -0.33 0.02 -0.63 0.00 0.00 0.00 174.94 173.92 2rq8 s ILE 50 N 1.60 3.15 -0.64 2.92 -1.09 -0.77 -5.02 121.20 121.36 2rq8 s ILE 50 Ca 0.03 -1.28 -0.23 0.00 -2.23 0.00 0.00 60.65 56.94 2rq8 s ILE 50 Cb -0.20 -2.78 0.06 0.00 -1.58 0.00 0.00 42.46 37.96 2rq8 s ILE 50 CO 0.07 -0.09 0.97 -1.83 -1.23 0.00 0.00 174.94 172.84 2rq8 s GLU 51 N 1.29 3.16 -0.55 2.79 1.03 -1.26 -2.10 118.70 123.06 2rq8 s GLU 51 Ca -0.04 -0.69 -0.17 0.00 0.03 0.00 0.00 54.97 54.11 2rq8 s GLU 51 Cb -0.19 -4.19 0.13 0.00 -0.80 0.00 0.00 34.13 29.07 2rq8 s GLU 51 CO -0.01 -1.76 0.54 0.34 -1.33 0.00 0.00 175.26 173.05 2rq8 s ASP 52 N 3.50 6.19 2.00 0.83 2.15 -0.54 -4.96 116.67 125.84 2rq8 s ASP 52 Ca 0.24 -1.72 0.00 0.00 0.43 0.00 0.00 52.55 51.50 2rq8 s ASP 52 Cb -0.16 -2.23 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 2rq8 s ASP 52 CO 0.12 -0.91 0.00 0.61 -0.17 0.00 0.00 175.17 174.82 2rq8 n GLY 53 N 5.25 4.17 0.08 2.66 0.00 -1.26 -1.82 105.19 114.27 2rq8 n GLY 53 Ca -0.13 0.18 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 2rq8 n GLY 53 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2rq8 h LYS 54 N 0.00 0.01 -6.57 1.61 3.11 -1.92 -3.41 116.57 109.40 2rq8 h LYS 54 Ca 0.00 -0.01 -0.52 0.00 -2.81 0.00 0.00 60.65 57.31 2rq8 h LYS 54 Cb 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.20 2rq8 h LYS 54 CO 0.00 0.56 0.04 -1.59 -2.81 0.00 0.00 179.45 175.64 2rq8 s LYS 55 N -2.61 4.03 0.05 1.90 -2.85 -0.76 -3.81 119.74 115.70 2rq8 s LYS 55 Ca -0.04 0.63 0.08 0.00 -1.00 0.00 0.00 55.97 55.64 2rq8 s LYS 55 Cb 0.08 -2.67 -0.03 0.00 -2.06 0.00 0.00 37.83 33.15 2rq8 s LYS 55 CO 0.82 0.30 -0.22 -1.01 0.10 0.00 0.00 175.35 175.34 2rq8 s HIS 56 N -1.75 1.93 -0.04 1.78 3.76 -1.15 -1.46 115.29 118.35 2rq8 s HIS 56 Ca 0.47 -0.39 0.04 0.00 -0.15 0.00 0.00 55.06 55.04 2rq8 s HIS 56 Cb -0.13 -1.13 -0.00 0.00 1.11 0.00 0.00 32.58 32.42 2rq8 s HIS 56 CO 0.19 0.12 -0.16 -1.50 -0.85 0.00 0.00 174.74 172.54 2rq8 s ILE 57 N -0.85 1.36 -0.12 0.60 1.10 -0.89 -3.39 121.20 119.01 2rq8 s ILE 57 Ca 0.08 -0.67 -0.00 0.00 -0.51 0.00 0.00 60.65 59.55 2rq8 s ILE 57 Cb -0.09 -1.17 0.03 0.00 0.15 0.00 0.00 42.46 41.37 2rq8 s ILE 57 CO 0.02 0.39 -0.07 -0.22 -2.11 0.00 0.00 174.94 172.96 2rq8 s LEU 58 N 0.08 1.18 -0.23 8.50 1.98 -1.13 -1.84 118.68 127.23 2rq8 s LEU 58 Ca -0.04 -0.32 -0.09 0.00 -2.89 0.00 0.00 54.13 50.79 2rq8 s LEU 58 Cb -0.11 -0.83 -0.04 0.00 0.66 0.00 0.00 46.19 45.87 2rq8 s LEU 58 CO 0.02 -0.13 0.11 -0.63 -1.89 0.00 0.00 176.35 173.84 2rq8 s ILE 59 N 1.72 4.97 -0.21 6.68 1.01 -1.04 -2.87 121.20 131.46 2rq8 s ILE 59 Ca 0.05 0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.75 2rq8 s ILE 59 Cb -0.13 -3.30 0.03 0.00 0.01 0.00 0.00 42.46 39.07 2rq8 s ILE 59 CO -0.08 0.38 -0.14 -0.22 0.00 0.00 0.00 174.94 174.87 2rq8 s LEU 60 N 0.98 2.69 -0.00 2.97 2.96 -0.80 -2.88 118.68 124.60 2rq8 s LEU 60 Ca 0.06 -0.87 0.04 0.00 -0.22 0.00 0.00 54.13 53.14 2rq8 s LEU 60 Cb -0.14 -1.54 0.11 0.00 0.50 0.00 0.00 46.19 45.12 2rq8 s LEU 60 CO 0.03 -0.07 1.05 1.41 -1.32 0.00 0.00 176.35 177.46 2rq8 n HIS 61 N 4.59 0.18 -3.50 5.38 8.25 -1.26 -0.57 115.22 128.30 2rq8 n HIS 61 Ca -0.18 -0.09 -0.29 0.00 -0.26 0.00 0.00 57.72 56.90 2rq8 n HIS 61 Cb 0.47 -0.02 -0.13 0.00 1.12 0.00 0.00 29.99 31.44 2rq8 n HIS 61 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2rq8 s ASN 62 N -0.92 3.22 -0.14 0.41 0.01 -1.24 -4.37 114.94 111.92 2rq8 s ASN 62 Ca 0.08 -1.79 0.16 0.00 -0.71 0.00 0.00 52.86 50.61 2rq8 s ASN 62 Cb 0.05 -0.38 0.72 0.00 0.41 0.00 0.00 41.25 42.05 2rq8 s ASN 62 CO 0.05 -0.37 1.62 0.00 -1.51 0.00 0.00 177.10 176.90 2rq8 s GLN 64 N -2.05 2.53 0.00 0.00 -1.52 -1.26 -3.85 119.66 113.51 2rq8 s GLN 64 Ca 0.50 0.61 0.13 0.00 -1.95 0.00 0.00 55.36 54.66 2rq8 s GLN 64 Cb 0.34 -4.49 0.22 0.00 -0.22 0.00 0.00 33.01 28.86 2rq8 s GLN 64 CO 0.22 -2.90 1.05 1.28 -0.25 0.00 0.00 175.29 174.68 2rq8 n LEU 65 N 13.40 0.27 0.00 2.90 4.77 -1.26 -4.99 117.00 132.09 2rq8 n LEU 65 Ca 0.25 -1.75 0.00 0.00 -0.03 0.00 0.00 56.01 54.48 2rq8 n LEU 65 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2rq8 n LEU 65 CO 0.70 0.74 0.00 0.61 -1.33 0.00 0.00 177.39 178.10 2rq8 n GLY 66 N 0.26 0.49 0.24 -0.72 0.00 -1.26 -3.52 105.19 100.67 2rq8 n GLY 66 Ca -0.04 -0.90 -0.02 0.00 0.00 0.00 0.00 46.02 45.06 2rq8 n GLY 66 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2rq8 h MET 67 N 0.00 0.44 -3.01 1.61 2.86 -1.96 -3.43 114.93 111.44 2rq8 h MET 67 Ca 0.00 -0.15 -0.07 0.00 -2.06 0.00 0.00 59.70 57.41 2rq8 h MET 67 Cb 0.00 -0.03 -0.16 0.00 0.06 0.00 0.00 31.60 31.46 2rq8 h MET 67 CO 0.00 0.64 -0.09 0.95 1.06 0.00 0.00 176.91 179.47 2rq8 s THR 68 N -4.54 0.05 0.25 2.22 -4.23 -1.23 -2.24 115.64 105.92 2rq8 s THR 68 Ca -0.07 -0.44 0.09 0.00 -1.18 0.00 0.00 61.69 60.09 2rq8 s THR 68 Cb 0.14 -0.96 -0.05 0.00 1.34 0.00 0.00 72.50 72.97 2rq8 s THR 68 CO 0.78 -0.24 -0.13 -0.83 -0.54 0.00 0.00 174.62 173.66 2rq8 s GLY 69 N -2.02 1.70 -0.28 3.99 0.00 -0.57 -4.80 107.32 105.33 2rq8 s GLY 69 Ca -0.05 -1.81 -0.05 0.00 0.00 0.00 0.00 44.72 42.81 2rq8 s GLY 69 CO -0.03 -1.85 0.04 1.85 0.00 0.00 0.00 173.10 173.11 2rq8 s GLU 70 N -3.63 3.01 -0.30 2.90 2.12 -1.26 -0.02 118.70 121.52 2rq8 s GLU 70 Ca 0.27 -0.90 -0.14 0.00 0.36 0.00 0.00 54.97 54.56 2rq8 s GLU 70 Cb -0.00 -3.26 -0.03 0.00 0.26 0.00 0.00 34.13 31.09 2rq8 s GLU 70 CO 0.11 -0.43 0.34 0.08 -0.54 0.00 0.00 175.26 174.81 2rq8 s VAL 71 N 1.45 5.19 -0.18 3.70 1.01 -0.57 -4.68 120.40 126.33 2rq8 s VAL 71 Ca 0.02 0.33 -0.03 0.00 0.00 0.00 0.00 61.98 62.30 2rq8 s VAL 71 Cb -0.17 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 2rq8 s VAL 71 CO 0.00 0.09 -0.06 -0.44 0.00 0.00 0.00 175.10 174.70 2rq8 s SER 72 N 1.69 4.44 -0.02 3.32 0.01 -1.07 -1.50 113.70 120.57 2rq8 s SER 72 Ca 0.13 -0.28 0.02 0.00 1.31 0.00 0.00 55.95 57.13 2rq8 s SER 72 Cb -0.16 -1.73 0.00 0.00 0.21 0.00 0.00 66.02 64.34 2rq8 s SER 72 CO 0.11 0.09 -0.07 0.12 0.41 0.00 0.00 173.24 173.90 2rq8 s PHE 73 N 0.83 0.75 -0.18 2.43 5.36 0.78 -0.06 117.98 127.88 2rq8 s PHE 73 Ca -0.02 -0.17 0.00 0.00 -0.96 0.00 0.00 56.93 55.78 2rq8 s PHE 73 Cb -0.15 -0.54 0.01 0.00 -0.34 0.00 0.00 43.02 42.00 2rq8 s PHE 73 CO 0.01 -0.08 -0.17 -0.65 -1.46 0.00 0.00 175.22 172.88 2rq8 s GLN 74 N 0.20 3.08 -0.48 10.12 -0.21 0.67 -1.45 119.66 131.59 2rq8 s GLN 74 Ca -0.03 -0.79 0.01 0.00 0.02 0.00 0.00 55.36 54.58 2rq8 s GLN 74 Cb -0.07 -2.65 0.13 0.00 1.00 0.00 0.00 33.01 31.41 2rq8 s GLN 74 CO 0.00 -0.18 0.24 0.00 -2.12 0.00 0.00 175.29 173.24 2rq8 s ALA 75 N 1.26 3.25 -0.55 6.09 0.00 -1.19 -0.21 121.76 130.42 2rq8 s ALA 75 Ca 0.04 -2.98 -0.07 0.00 0.00 0.00 0.00 51.96 48.95 2rq8 s ALA 75 Cb -0.14 -2.28 0.01 0.00 0.00 0.00 0.00 23.12 20.71 2rq8 s ALA 75 CO -0.09 -1.93 0.60 0.00 0.00 0.00 0.00 175.76 174.34 2rq8 n ALA 76 N 3.72 -2.70 -3.07 0.00 0.00 -1.20 -3.18 120.51 114.07 2rq8 n ALA 76 Ca 0.04 0.52 -0.19 0.00 0.00 0.00 0.00 53.44 53.81 2rq8 n ALA 76 Cb 0.37 -2.40 -0.00 0.00 0.00 0.00 0.00 19.45 17.42 2rq8 n ALA 76 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2rq8 n ASN 77 N -1.05 -3.74 -4.50 0.00 3.02 -1.26 -4.94 115.26 102.79 2rq8 n ASN 77 Ca 0.05 -0.20 -0.32 0.00 -0.03 0.00 0.00 54.58 54.09 2rq8 n ASN 77 Cb 0.46 -3.12 -0.12 0.00 -0.61 0.00 0.00 39.78 36.39 2rq8 n ASN 77 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2rq8 s THR 78 N -2.82 3.11 -0.31 3.41 2.01 -1.19 -5.11 115.64 114.75 2rq8 s THR 78 Ca 0.27 -0.91 -0.13 0.00 0.31 0.00 0.00 61.69 61.24 2rq8 s THR 78 Cb -0.14 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 70.05 2rq8 s THR 78 CO 0.34 0.45 0.27 -0.54 -0.69 0.00 0.00 174.62 174.45 2rq8 s LYS 79 N -1.17 3.72 -0.08 4.92 3.01 -1.26 -3.14 119.74 125.74 2rq8 s LYS 79 Ca 0.14 -0.39 -0.01 0.00 -1.01 0.00 0.00 55.97 54.70 2rq8 s LYS 79 Cb -0.11 -3.74 0.03 0.00 -1.01 0.00 0.00 37.83 33.00 2rq8 s LYS 79 CO 0.04 -0.36 -0.03 -1.12 0.51 0.00 0.00 175.35 174.39 2rq8 s SER 80 N 1.73 1.71 -0.02 2.83 0.01 -0.53 -5.02 113.70 114.41 2rq8 s SER 80 Ca 0.09 -0.17 0.01 0.00 1.31 0.00 0.00 55.95 57.19 2rq8 s SER 80 Cb -0.17 -0.58 0.01 0.00 0.21 0.00 0.00 66.02 65.49 2rq8 s SER 80 CO 0.11 -0.15 -0.02 0.00 0.41 0.00 0.00 173.24 173.59 2rq8 s ALA 81 N 1.72 0.38 0.04 1.44 0.00 -1.26 -0.15 121.76 123.92 2rq8 s ALA 81 Ca 0.03 0.01 0.02 0.00 0.00 0.00 0.00 51.96 52.01 2rq8 s ALA 81 Cb -0.13 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 2rq8 s ALA 81 CO -0.05 0.00 -0.06 0.00 0.00 0.00 0.00 175.76 175.64 2rq8 s ALA 82 N 0.57 0.47 0.30 0.00 0.00 -0.56 -5.00 121.76 117.53 2rq8 s ALA 82 Ca -0.06 -0.75 -0.19 0.00 0.00 0.00 0.00 51.96 50.96 2rq8 s ALA 82 Cb -0.09 0.08 -0.09 0.00 0.00 0.00 0.00 23.12 23.02 2rq8 s ALA 82 CO -0.01 -0.07 0.78 0.54 0.00 0.00 0.00 175.76 177.00 2rq8 s ASN 83 N -1.63 6.96 -0.08 0.00 4.22 -1.26 -1.50 114.94 121.64 2rq8 s ASN 83 Ca -0.10 1.44 0.05 0.00 -2.14 0.00 0.00 52.86 52.10 2rq8 s ASN 83 Cb -0.09 -2.43 -0.01 0.00 1.28 0.00 0.00 41.25 40.00 2rq8 s ASN 83 CO -0.00 -0.12 -0.23 -0.22 -2.04 0.00 0.00 177.10 174.49 2rq8 s LEU 84 N -2.54 2.18 -0.38 3.54 0.20 0.97 -3.08 118.68 119.57 2rq8 s LEU 84 Ca 0.51 -0.49 -0.12 0.00 0.69 0.00 0.00 54.13 54.72 2rq8 s LEU 84 Cb -0.13 -1.42 0.02 0.00 -0.43 0.00 0.00 46.19 44.23 2rq8 s LEU 84 CO 0.19 0.22 0.22 -0.75 -0.29 0.00 0.00 176.35 175.94 2rq8 s LYS 85 N -0.01 2.92 -0.22 1.98 2.36 -0.86 -1.51 119.74 124.40 2rq8 s LYS 85 Ca -0.08 -1.03 -0.27 0.00 -2.55 0.00 0.00 55.97 52.04 2rq8 s LYS 85 Cb -0.15 -3.78 0.00 0.00 -1.05 0.00 0.00 37.83 32.86 2rq8 s LYS 85 CO 0.05 -0.68 0.96 0.08 1.55 0.00 0.00 175.35 177.31 2rq8 s VAL 86 N 1.59 4.75 0.27 4.02 1.01 -0.95 -2.82 120.40 128.26 2rq8 s VAL 86 Ca 0.03 1.87 0.03 0.00 0.00 0.00 0.00 61.98 63.91 2rq8 s VAL 86 Cb -0.19 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 2rq8 s VAL 86 CO 0.07 -0.12 0.42 -0.54 0.00 0.00 0.00 175.10 174.93 2rq8 s LYS 87 N 2.92 3.46 0.35 2.72 -0.14 -0.66 -4.87 119.74 123.51 2rq8 s LYS 87 Ca 0.41 -0.60 -0.14 0.00 -1.36 0.00 0.00 55.97 54.29 2rq8 s LYS 87 Cb -0.15 -2.82 -0.08 0.00 -1.68 0.00 0.00 37.83 33.09 2rq8 s LYS 87 CO 0.08 0.35 0.75 -2.00 -0.76 0.00 0.00 175.35 173.77 2rq8 s GLU 88 N -4.00 3.95 -0.32 1.68 2.12 -1.26 -1.79 118.70 119.07 2rq8 s GLU 88 Ca 0.36 0.63 0.05 0.00 0.36 0.00 0.00 54.97 56.37 2rq8 s GLU 88 Cb -0.09 -2.41 0.55 0.00 0.26 0.00 0.00 34.13 32.43 2rq8 s GLU 88 CO 0.31 0.10 1.68 1.28 -0.54 0.00 0.00 175.26 178.09 2rq8 n LEU 89 N -0.62 5.73 -4.18 2.70 4.77 -1.26 -4.84 117.00 119.31 2rq8 n LEU 89 Ca 0.03 -3.03 -0.35 0.00 -0.03 0.00 0.00 56.01 52.64 2rq8 n LEU 89 Cb 0.53 -0.75 -0.14 0.00 -2.33 0.00 0.00 43.42 40.74 2rq8 n LEU 89 CO 0.43 0.86 -0.38 -0.76 -1.33 0.00 0.00 177.39 176.22 2rq8 s LEU 90 N -2.52 3.63 0.37 2.23 2.01 -1.26 -5.10 118.68 118.04 2rq8 s LEU 90 Ca 0.44 -1.12 -0.24 0.00 0.01 0.00 0.00 54.13 53.22 2rq8 s LEU 90 Cb 0.37 -1.69 -0.10 0.00 0.01 0.00 0.00 46.19 44.77 2rq8 s LEU 90 CO 0.09 -0.21 0.96 -1.61 1.01 0.00 0.00 176.35 176.59 2rq8 s GLU 91 N 1.28 4.42 -0.42 1.70 2.02 -1.26 -5.04 118.70 121.40 2rq8 s GLU 91 Ca -0.03 1.28 0.03 0.00 0.02 0.00 0.00 54.97 56.27 2rq8 s GLU 91 Cb -0.19 -2.57 0.12 0.00 0.10 0.00 0.00 34.13 31.59 2rq8 s GLU 91 CO -0.02 0.13 0.16 -1.01 0.02 0.00 0.00 175.26 174.53 2rq8 s HIS 92 N -1.81 3.14 0.45 1.61 3.76 -1.26 -5.10 115.29 116.09 2rq8 s HIS 92 Ca 0.55 -2.89 0.07 0.00 -0.15 0.00 0.00 55.06 52.64 2rq8 s HIS 92 Cb -0.16 -2.65 -0.02 0.00 1.11 0.00 0.00 32.58 30.86 2rq8 s HIS 92 CO 0.21 -0.84 0.28 -3.38 -0.85 0.00 0.00 174.74 170.15 2rq8 s HIS 93 N 0.44 2.38 -0.14 1.40 -3.43 -1.26 -5.09 115.29 109.60 2rq8 s HIS 93 Ca 0.14 -0.63 -0.29 0.00 -0.80 0.00 0.00 55.06 53.47 2rq8 s HIS 93 Cb -0.22 -2.00 -0.01 0.00 -1.43 0.00 0.00 32.58 28.92 2rq8 s HIS 93 CO -0.06 -0.06 1.08 -1.01 -2.00 0.00 0.00 174.74 172.70 2rq8 s HIS 94 N -2.62 3.32 -0.11 0.38 3.76 -1.26 -4.92 115.29 113.85 2rq8 s HIS 94 Ca 0.40 1.42 -0.13 0.00 -0.15 0.00 0.00 55.06 56.60 2rq8 s HIS 94 Cb 0.00 -3.29 -0.05 0.00 1.11 0.00 0.00 32.58 30.35 2rq8 s HIS 94 CO 0.23 -0.68 -0.25 1.58 -0.85 0.00 0.00 174.74 174.77 2rq8 n HIS 95 N 5.59 0.00 0.00 1.40 -0.00 -1.26 -4.88 115.22 116.07 2rq8 n HIS 95 Ca 0.11 0.00 -0.00 0.00 0.46 0.00 0.00 57.72 58.28 2rq8 n HIS 95 Cb 0.47 -0.39 -0.00 0.00 -0.12 0.00 0.00 29.99 29.95 2rq8 n HIS 95 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2rq8 h HIS 96 N -0.72 -0.02 0.00 1.57 3.86 -2.08 -3.58 115.15 114.19 2rq8 h HIS 96 Ca -0.04 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 2rq8 h HIS 96 Cb 0.78 0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.25 2rq8 h HIS 96 CO -0.29 -0.01 0.00 1.58 0.86 0.00 0.00 177.93 180.07